Information card for entry 7045782

Structure parameters

• Formula: C56 H43 B Cl0.86 F2 I0.14 N2 O P2 Pd
• Calculated formula: C56 H43 B Cl0.86 F2 I0.14 N2 O P2 Pd
• Title of publication: Molecular lemmings: strategies to avoid when designing BODIPY ferrocene dyads for dye-sensitized solar cell applications.
• Authors of publication: Hussein, B. A.; Huynh, J. T.; Prieto, P. L.; Barran, C. P.; Arnold, A. E.; Sarycheva, O. V.; Lough, A. J.; Koivisto, B. D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 4916 - 4920
• a: 11.5257 ± 0.0009 Å
• b: 16.4734 ± 0.0013 Å
• c: 14.0859 ± 0.0012 Å
• α: 90°
• β: 110.919 ± 0.002°
• γ: 90°
• Cell volume: 2498.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No